Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC N05BA11
UNII Q30VCC064M
EPA CompTox DTXSID4021181

Structure

InChI Key MWQCHHACWWAQLJ-UHFFFAOYSA-N
Smiles O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1
InChI
InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17ClN2O
Molecular Weight 324.81
AlogP 3.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 32.67
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Bioactivity

Mechanism of Action Action Reference
GABA-A receptor; anion channel positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed Wikipedia
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit pi

Organism : Homo sapiens

O00591 ENSG00000094755
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit delta

Organism : Homo sapiens

O14764 ENSG00000187730
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-1

Organism : Homo sapiens

P14867 ENSG00000022355
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit beta-1

Organism : Homo sapiens

P18505 ENSG00000163288
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit gamma-2

Organism : Homo sapiens

P18507 ENSG00000113327
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit beta-3

Organism : Homo sapiens

P28472 ENSG00000166206
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-5

Organism : Homo sapiens

P31644 ENSG00000186297
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-3

Organism : Homo sapiens

P34903 ENSG00000011677
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-2

Organism : Homo sapiens

P47869 ENSG00000151834
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit beta-2

Organism : Homo sapiens

P47870 ENSG00000145864
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-4

Organism : Homo sapiens

P48169 ENSG00000109158
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit epsilon

Organism : Homo sapiens

P78334 ENSG00000102287
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit alpha-6

Organism : Homo sapiens

Q16445 ENSG00000145863
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit gamma-1

Organism : Homo sapiens

Q8N1C3 ENSG00000163285
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit gamma-3

Organism : Homo sapiens

Q99928 ENSG00000182256
Protein: GABA-A receptor; anion channel

Description: Gamma-aminobutyric acid receptor subunit theta

Organism : Homo sapiens

Q9UN88 ENSG00000268089

Related Entries

Cross References

Resources Reference
ChEBI 8362
ChEMBL CHEMBL969
DrugBank DB01588
DrugCentral 2240
FDA SRS Q30VCC064M
Human Metabolome Database HMDB0015527
Guide to Pharmacology 7275
KEGG C07366
PharmGKB PA164776668
PubChem 4890
SureChEMBL SCHEMBL78272
ZINC ZINC000000001971